Molecular electrostatic potentials as a first approach to protonated interstellar molecules

Astronomy and Astrophysics – Astrophysics

Scientific paper

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Interstellar Chemistry, Interstellar Matter, Molecular Clouds, Isomers, Protons

Scientific paper

The applicability of ab-initio molecular electrostatic potentials to examine the protonated adducts of interstellar molecules is tested on the series: CO, CS, SiO, SiS, N2, H2 and CO2. The stable isomers HCO+ (linear), HCS+ (linear), SiOH+ (linear), SiSH+ (bent), HN2+ (linear), H3+ (triangular), and HOCO+ (bent) are correctly predicted. The method used provides rapid and inexpensive semi-quantitative results particularly useful for a first selection of the stable protonated entities in chemistry models involving a large number of proton acceptors.

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